title: N-dependence problem of local hardness parameter.
abstract: The broader applicability of local hardness, [eta(r)] as a reliable intermolecular reactivity descriptor primarily depends on the removal of its 1/N (N, total number of electrons of the system) dependence. In this article an attempt is made to illustrate the problem of evaluating eta(r) by using rho(r) (the electron density) or Nf(r) (Fukui function multiplied by N) as composite functions and a scheme is proposed to evaluate the local hardness values.
authors.affiliation: Department of Chemistry, Birla Institute of Technology and Science, Pilani, 330 331, Rajasthan, India.
authors.forename: Soumen
authors.initials: S
authors.lastname: Saha
authors.forename: Ram Kinkar
authors.initials: RK
authors.lastname: Roy
mesh_terms: D000447:Aldehydes / Q000737:chemistry*; D003198:Computer Simulation; D004583:Electrons; D007659:Ketones / Q000737:chemistry*; D008956:Models, Chemical; D011789:Quantum Theory
chemical_list: D000447:Aldehydes; D007659:Ketones